1-(4-bromophenyl)-2-(4-phenylphenoxy)ethanone

C20H15BrO2 — CID 4309178

IUPAC1-(4-bromophenyl)-2-(4-phenylphenoxy)ethanone
SMILESO=C(COc1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C20H15BrO2/c21-18-10-6-17(7-11-18)20(22)14-23-19-12-8-16(9-13-19)15-4-2-1-3-5-15/h1-13H,14H2
InChIKeyAXFLYGICALUFLI-UHFFFAOYSA-N
MW367.24 g/mol
LogP5.38
Rot. Bonds5

About 1-(4-bromophenyl)-2-(4-phenylphenoxy)ethanone

1-(4-bromophenyl)-2-(4-phenylphenoxy)ethanone (PubChem CID 4309178) has the molecular formula C20H15BrO2 and a molecular weight of 367.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(4-phenylphenoxy)ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(4-phenylphenoxy)ethanone
PubChem CID4309178
Molecular FormulaC20H15BrO2
Molecular Weight367.24 g/mol
Exact Mass366.03
IUPAC Name1-(4-bromophenyl)-2-(4-phenylphenoxy)ethanone
SMILESO=C(COc1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C20H15BrO2/c21-18-10-6-17(7-11-18)20(22)14-23-19-12-8-16(9-13-19)15-4-2-1-3-5-15/h1-13H,14H2
InChIKeyAXFLYGICALUFLI-UHFFFAOYSA-N
XLogP5.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.24
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120
2-[4-(bromomethyl)phenoxy]-1-(4-bromophenyl)ethanone
CID 67899293
1-(4-bromophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone
CID 107709231
2-[4-[2-(4-bromophenyl)-2-oxoethoxy]phenyl]acetamide
CID 38113386
2-[4-(4-bromophenyl)phenoxy]acetamide
CID 7949184
1-(4-bromophenyl)-2-(3,4-difluorophenoxy)ethanone
CID 43612513
1-(4-bromophenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62337475
2-(4-bromo-3-fluorophenoxy)-1-(4-bromophenyl)ethanone
CID 65201551
2-(3-bromo-4-fluorophenoxy)-1-(4-bromophenyl)ethanone
CID 83234474
(6-bromonaphthalen-2-yl) 2-(4-phenylphenoxy)acetate
CID 4013099
[4-[2-(4-bromophenoxy)ethoxy]phenyl]-phenylmethanone
CID 7717760
[2-(4-bromophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 18276849

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(4-phenylphenoxy)ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-(4-phenylphenoxy)ethanone (CID 4309178) is 1-(4-bromophenyl)-2-(4-phenylphenoxy)ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-(4-phenylphenoxy)ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-(4-phenylphenoxy)ethanone is O=C(COc1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(4-phenylphenoxy)ethanone?
The InChIKey is AXFLYGICALUFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrO2/c21-18-10-6-17(7-11-18)20(22)14-23-19-12-8-16(9-13-19)15-4-2-1-3-5-15/h1-13H,14H2.
What are the key properties of 1-(4-bromophenyl)-2-(4-phenylphenoxy)ethanone?
1-(4-bromophenyl)-2-(4-phenylphenoxy)ethanone has a molecular weight of 367.24 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(4-phenylphenoxy)ethanone is sourced from PubChem (CID 4309178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).